SCHEMBL8470586

SCHEMBL8470586

COC(=O)c1c(Br)ccc2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
MAPK10 P53779 1/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41
GLA P06280 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27967472 0.82 AOC3 (0.50) AOC3NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL30843235 0.81 KDM4E (0.43) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7851584 0.81 KDM4E (0.42) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4489374 0.81 KDM4E (0.43) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL31353412 0.81 KDM4E (0.42) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL13485804 0.81 AOC3 (0.46) AOC3NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL423788 0.80 AOC3 (0.49) AOC3NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL10621687 0.80 HPGD (0.43) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL12071539 0.79 AOC3 (0.47) AOC3NPC1SMN1; SMN2RAB9AMEN1
SCHEMBL422232 0.79 AOC3 (0.47) AOC3NPC1SMN1; SMN2RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121586713-A Quinoline derivatives and pharmaceutical compositions thereof for the treatment of diseases 百济神州(苏州)生物科技有限公司 2026-02-27 CN disclosed
WO-2025021217-A1 QUINOLINE DERIVATIVES AND PHARMARCEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASE BEIGENE SWITZERLAND GMBH (CH) 2025-01-30 WO disclosed
US-5948817-A Polycyclic ethyl alkylamide melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-07 US disclosed
WO-1998038991-A1 POLYCYCLIC ETHYL ALKYLAMIDE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-09-11 WO disclosed